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832082-26-5 | Benzene, [[4-(2-propynyloxy)butoxy]methyl]-
CAS No: 832082-26-5 Catalog No: AG004VDL MDL No:
Product Description
Catalog Number:
AG004VDL
Chemical Name:
Benzene, [[4-(2-propynyloxy)butoxy]methyl]-
CAS Number:
832082-26-5
Molecular Formula:
C14H18O2
Molecular Weight:
218.2915
IUPAC Name:
4-prop-2-ynoxybutoxymethylbenzene
InChI:
InChI=1S/C14H18O2/c1-2-10-15-11-6-7-12-16-13-14-8-4-3-5-9-14/h1,3-5,8-9H,6-7,10-13H2
InChI Key:
UKLRQPXRXDRJDJ-UHFFFAOYSA-N
SMILES:
C#CCOCCCCOCc1ccccc1
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.131g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.296g/mol
Monoisotopic Mass:
218.131g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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